3-(4-butan-2-ylphenyl)-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea

Systemtic Name: 3-(4-butan-2-ylphenyl)-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Openeye Name: 1-methyl-3-(4-sec-butylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea CAS Name: 3-(4-butan-2-ylphenyl)-1-methyl-1-[(1,3,5-trimethyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 3-(4-butan-2-ylphenyl)-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-methyl-3-(4-sec-butylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Formula: C19H28N4S MolecularWeight: 344.51742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)N(C)CC2=C(N(N=C2C)C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)N(C)CC2=C(N(N=C2C)C)C

InChI

InChI=1S/C19H28N4S/c1-7-13(2)16-8-10-17(11-9-16)20-19(24)22(5)12-18-14(3)21-23(6)15(18)4/h8-11,13H,7,12H2,1-6H3,(H,20,24)